[Pw_forum] (no subject)

Thu Jul 20 17:02:46 CEST 2017

That happens when your internet connection keeps breaking.
Let me take a look if we really need to do that even if connection breaks.

On Jul 20, 2017 8:00 AM, "Isaiah Moses" <imoses87 at gmail.com> wrote:

> Great Titusi!
> I appreciate your response.
>
> I shall give it a trial.
>
> But I'm being logged out too frequently.
>
> In a minute or two I will have to log in again and again.
>
> Is there a way of disallowing that?
>
> Kind regards,
> Isaiah
>
> On Thu, Jul 20, 2017 at 3:43 PM, Titusi Forum <titusiforum at gmail.com>
> wrote:
>
>> Easiest way to get started with Kogence might be to "Copy" an existing
>> example first. For example, you might want to copy this example :-
>> https://kogence.com/app/jobs/files/dashboard/-316%5EBand_str
>> ucture_and_charge_density_in_110_plane_of_Si
>>
>> After copying, click on the "Files" tab. Now double-click on the
>> run_example.sh file in that example. This will open the file in a code
>> editor. Now you can edit that file.
>>
>> Look at line #98. cat > si.scf.in << EOF. From this line to line #131,
>> we are creating *.in file. You can replace these files with your *.in file
>> content here. Make sure you don't change the file paths such as path to
>> pseudo etc. Leave those lines as it is.
>>
>> This is hsould get you going. Let me know if this does not work.
>>
>> Answer to your specific questions:-
>>
>> For uploading your input file you clicked on the "+" button, right? The
>> same "+" button shows options for creating a directory as well.
>> See instructions here :-
>> https://kogence.com/app/category/Quantum_Espresso
>> Look at Section: "Create a New Quantum Espresso Project from Scratch" ->
>> "Step 2"
>>
>> For the software command, click on "Settings" in top/right toolbar (third
>> level). It will open a forth level of toolbar with two subtabs -- one for
>> "Machines" and other for "Software". In the "Software" subtab, select
>> "Quantum Espresso" from the dropdown and type "./run_example.sh" in the
>> empty text box. We run QE through shell script. Your *.in file is inside
>> our *.sh file. Open any *.sh file on Kogence to see where *.in goes.
>>
>>
>>
>>
>>
>> On Jul 20, 2017 5:39 AM, "Isaiah Moses" <imoses87 at gmail.com> wrote:
>>
>> Hi Titusi Forum,
>> I'm trying to run calculations on Kogence.com using quantum espresso but
>> I'm not getting what command to give.
>>
>> For instance, if I want to run an scf calculation?
>>
>> Also, after uploading my input file, how do I create a 'directory' where
>> I can save other files like pseudo potentials.
>>
>> I shall appreciate your comment
>>
>>
>> On Thu, Jul 20, 2017 at 2:16 AM, Titusi Forum <titusiforum at gmail.com>
>> wrote:
>>
>>> Try running your simulations on kogence.com.
>>> You would avoid dealing with all these issues.
>>>
>>> On Tue, Jul 18, 2017 at 7:33 PM, Rajesh <creativeidleminds at gmail.com>
>>> wrote:
>>>
>>>> This may help
>>>> https://www.physicsforums.com/threads/fortran-runtime-error-
>>>> end-of-file.716352/
>>>>
>>>> On Tue, Jul 18, 2017 at 11:33 PM, Shishir Timilsena <
>>>> expressgucci at gmail.com> wrote:
>>>>
>>>>> may i know what is this error about ??
>>>>>
>>>>> On Tue, Jul 18, 2017 at 11:19 PM, Rajesh <creativeidleminds at gmail.com>
>>>>> wrote:
>>>>>
>>>>>> These are libraries you should install. You can Google how to install
>>>>>> these
>>>>>>
>>>>>> On Jul 18, 2017 22:58, "Shishir Timilsena" <expressgucci at gmail.com>
>>>>>> wrote:
>>>>>>
>>>>>>> what about scalapack ??? do we need to install it too ???
>>>>>>>
>>>>>>>
>>>>>>>
>>>>>>> On Tue, Jul 18, 2017 at 10:13 PM, Rajesh <
>>>>>>> creativeidleminds at gmail.com> wrote:
>>>>>>>
>>>>>>>> https://www.open-mpi.org/software/ompi/v2.1/downloads/openmp
>>>>>>>> i-2.1.1.tar.gz
>>>>>>>>
>>>>>>>> Steps to install
>>>>>>>>
>>>>>>>> Step – 1 :Download the latest openmpi package from here ;
>>>>>>>>
>>>>>>>> Step- 2: Extract the openmpi package and open the directory ;
>>>>>>>>
>>>>>>>> Step – 3: Configure the installation file
>>>>>>>>
>>>>>>>> ./configure --prefix="/home/user/.openmpi"
>>>>>>>>
>>>>>>>> Step – 4: Install the program
>>>>>>>>
>>>>>>>> make && sudo make install
>>>>>>>>
>>>>>>>> Step – 5: Setup environment path and test mpirun
>>>>>>>> add these lines to bash.bashrc and profile in /etc folder
>>>>>>>>
>>>>>>>> PATH="$PATH:/home/user/.openmpi/bin"
>>>>>>>> LD_LIBRARY_PATH="$LD_LIBRARY_PATH:/home/user/.openmpi/lib/"
>>>>>>>>
>>>>>>>> To test
>>>>>>>> run command mpirun and you should get te output
>>>>>>>>
>>>>>>>> If everything goes fine, then you should see the following message :
>>>>>>>>
>>>>>>>> mpirun could not find anything to do
>>>>>>>>
>>>>>>>>
>>>>>>>> On Tue, Jul 18, 2017 at 9:53 PM, Shishir Timilsena <
>>>>>>>> expressgucci at gmail.com> wrote:
>>>>>>>>
>>>>>>>>> ok i will try to install it
>>>>>>>>> can u provide the link for it.
>>>>>>>>> m using ubunut
>>>>>>>>>
>>>>>>>>> On Tue, Jul 18, 2017 at 9:56 PM, Rajesh <
>>>>>>>>> creativeidleminds at gmail.com> wrote:
>>>>>>>>>
>>>>>>>>>> openmpi is a software that you will have to install first. Then
>>>>>>>>>> compile qe with command
>>>>>>>>>>  ./configure -enable-opennmpi. Only then you can use parallel
>>>>>>>>>> version of qe. value is the number of processor you want to run  the
>>>>>>>>>> process.
>>>>>>>>>>
>>>>>>>>>> On Tue, Jul 18, 2017 at 9:20 PM, Shishir Timilsena <
>>>>>>>>>> expressgucci at gmail.com> wrote:
>>>>>>>>>>
>>>>>>>>>>> may i know what is openmpi and [value]  ???
>>>>>>>>>>>
>>>>>>>>>>> On Tue, Jul 18, 2017 at 9:29 PM, Rajesh <
>>>>>>>>>>> creativeidleminds at gmail.com> wrote:
>>>>>>>>>>>
>>>>>>>>>>>> for openmpi it is mpirun -np [value] pw.x  <scf.in>  scf.out
>>>>>>>>>>>>
>>>>>>>>>>>>
>>>>>>>>>>>> On Tue, Jul 18, 2017 at 8:29 PM, Shishir Timilsena <
>>>>>>>>>>>> expressgucci at gmail.com> wrote:
>>>>>>>>>>>>
>>>>>>>>>>>>> May i know what are the quantum espresso codes in Parallel
>>>>>>>>>>>>> machine ??
>>>>>>>>>>>>> in serial i use, pw.x <scf.in> scf.out what is in parallel ??
>>>>>>>>>>>>>
>>>>>>>>>>>>>
>>>>>>>>>>>>>
>>>>>>>>>>>>>
>>>>>>>>>>>>>
>>>>>>>>>>>>>
>>>>>>>>>>>>>
>>>>>>>>>>>>>
>>>>>>>>>>>>>
>>>>>>>>>>>>>
>>>>>>>>>>>>>
>>>>>>>>>>>>> Shishir Timilsena, M.Sc
>>>>>>>>>>>>> St.xavier's College
>>>>>>>>>>>>> Kathmandu,Nepal
>>>>>>>>>>>>> e-mail: shishir.timilsena at gmail.com
>>>>>>>>>>>>> phone: +977 9845196469 <+977%20984-5196469>
>>>>>>>>>>>>>
>>>>>>>>>>>>>
>>>>>>>>>>>>> _______________________________________________
>>>>>>>>>>>>> Pw_forum mailing list
>>>>>>>>>>>>> Pw_forum at pwscf.org
>>>>>>>>>>>>> http://pwscf.org/mailman/listinfo/pw_forum
>>>>>>>>>>>>>
>>>>>>>>>>>>
>>>>>>>>>>>>
>>>>>>>>>>>> _______________________________________________
>>>>>>>>>>>> Pw_forum mailing list
>>>>>>>>>>>> Pw_forum at pwscf.org
>>>>>>>>>>>> http://pwscf.org/mailman/listinfo/pw_forum
>>>>>>>>>>>>
>>>>>>>>>>>
>>>>>>>>>>>
>>>>>>>>>>> _______________________________________________
>>>>>>>>>>> Pw_forum mailing list
>>>>>>>>>>> Pw_forum at pwscf.org
>>>>>>>>>>> http://pwscf.org/mailman/listinfo/pw_forum
>>>>>>>>>>>
>>>>>>>>>>
>>>>>>>>>>
>>>>>>>>>> _______________________________________________
>>>>>>>>>> Pw_forum mailing list
>>>>>>>>>> Pw_forum at pwscf.org
>>>>>>>>>> http://pwscf.org/mailman/listinfo/pw_forum
>>>>>>>>>>
>>>>>>>>>
>>>>>>>>>
>>>>>>>>> _______________________________________________
>>>>>>>>> Pw_forum mailing list
>>>>>>>>> Pw_forum at pwscf.org
>>>>>>>>> http://pwscf.org/mailman/listinfo/pw_forum
>>>>>>>>>
>>>>>>>>
>>>>>>>>
>>>>>>>> _______________________________________________
>>>>>>>> Pw_forum mailing list
>>>>>>>> Pw_forum at pwscf.org
>>>>>>>> http://pwscf.org/mailman/listinfo/pw_forum
>>>>>>>>
>>>>>>>
>>>>>>>
>>>>>>> _______________________________________________
>>>>>>> Pw_forum mailing list
>>>>>>> Pw_forum at pwscf.org
>>>>>>> http://pwscf.org/mailman/listinfo/pw_forum
>>>>>>>
>>>>>>
>>>>>> _______________________________________________
>>>>>> Pw_forum mailing list
>>>>>> Pw_forum at pwscf.org
>>>>>> http://pwscf.org/mailman/listinfo/pw_forum
>>>>>>
>>>>>
>>>>>
>>>>> _______________________________________________
>>>>> Pw_forum mailing list
>>>>> Pw_forum at pwscf.org
>>>>> http://pwscf.org/mailman/listinfo/pw_forum
>>>>>
>>>>
>>>>
>>>> _______________________________________________
>>>> Pw_forum mailing list
>>>> Pw_forum at pwscf.org
>>>> http://pwscf.org/mailman/listinfo/pw_forum
>>>>
>>>
>>>
>>> _______________________________________________
>>> Pw_forum mailing list
>>> Pw_forum at pwscf.org
>>> http://pwscf.org/mailman/listinfo/pw_forum
>>>
>>
>>
>>
>> --
>> Isaiah Abu Moses
>> Graduate Student,
>> Physics Department,
>> University of Ibadan,
>> Nigeria
>>
>> _______________________________________________
>> Pw_forum mailing list
>> Pw_forum at pwscf.org
>> http://pwscf.org/mailman/listinfo/pw_forum
>>
>>
>>
>> _______________________________________________
>> Pw_forum mailing list
>> Pw_forum at pwscf.org
>> http://pwscf.org/mailman/listinfo/pw_forum
>>
>
>
>
> --
> Isaiah Abu Moses
> Graduate Student,
> Physics Department,
> University of Ibadan,
> Nigeria
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20170720/d0afe899/attachment.html>